Geometry & MOs

Info

ID:	240662
PubChem CID:	93617010
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	321.033876
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	4.62
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)NC2=CC=CC=C2COC

DOS

IR

Vibrations